structural formula
| business number | 047w |
|---|---|
| molecular formula | c8h5f3n2 |
| molecular weight | 186.13 |
| label |
4-amino-3-trifluoromethylbenzonitrile, 2-amino-5-cyanotrifluoromethylbenzene, 2-amino-5-cyanotrifluorotoluene, buttpark 87\01-75, 2-amino-5-cyanobenzotrifluoride, 3-trifluoromethyl-4-aminobenzonitrile, 4-amino-3-trifluoromethylbenzonitrile, 4-cyano-2-(trifluoromethyl)aniline, 2-amino-5-cyanobenzotrifluoride 99%, 2-amino-5-cyanobenzotrifluoride99%, 3-trilfuoromethyl-4-ami |
numbering system
cas number:327-74-2
mdl number:mfcd00275473
einecs number:000-000-0
rtecs number:none
brn number:2970379
pubchem id:none
physical property data
一 , physical property data
traits ：not available
density (g/ml,25/4℃): not available
relative vapor density (g/ml, air=1)：not available
melting point (ºc):60-63
boiling point (ºc, normal pressure): 100
boiling point (ºc, 5.2kpa): not available
refraction rate: not available
flash point (ºc): 100
optical rotation (º): not available
spontaneous combustion point or ignition temperature (ºc): not available
steam pressure (kpa, 25ºc): not available
saturated vapor pressure (kpa, 60ºc): not available
burn heat (kj/mol):not available
critical temperature (ºc): not available
critical pressure (kpa): not available
oil and water log value of the (octanol/water) partition coefficient:not available
explosion upper limit (%, v/v): not available
explosion lower limit (%, v/v): not available
dissolve properties: not available
toxicological data
two , toxicological data:
acute toxicity:not available .
ecological data
three , ecological data:
1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.
molecular structure data
1. molar refractive index: 39.92
2. molar volume (m3/mol）：135.7
3. isotonic specific volume (90.2k):342.9
4. <span style="font -size: 9pt; font-familsolubility:not available
toxicological data
two , toxicological data:
acute toxicity:not available .
ecological data
three , ecological data:
1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.
molecular structure data
1. molar refractive index: 39.92
2. molar volume (m3/mol）：135.7
3. isotonic specific volume (90.2k):342.9
4. surface tension (dyne/cm):40.7
5. polarizability（10-24cm3):15.82
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.8
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 49.8
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 227
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
y: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>surface tension ():40.7
5. polarizability（10-24cm3):15.82
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.8
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 49.8
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 227
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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